N-(1H-pyrazol-4-ylmethyl)thiane-2-carboxamide

C10H15N3OS — CID 80595279

IUPACN-(1H-pyrazol-4-ylmethyl)thiane-2-carboxamide
SMILESO=C(NCc1cn[nH]c1)C1CCCCS1
InChIInChI=1S/C10H15N3OS/c14-10(9-3-1-2-4-15-9)11-5-8-6-12-13-7-8/h6-7,9H,1-5H2,(H,11,14)(H,12,13)
InChIKeyGQZNVAJQTPIJBN-UHFFFAOYSA-N
MW225.32 g/mol
LogP1.31
Rot. Bonds3

About N-(1H-pyrazol-4-ylmethyl)thiane-2-carboxamide

N-(1H-pyrazol-4-ylmethyl)thiane-2-carboxamide (PubChem CID 80595279) has the molecular formula C10H15N3OS and a molecular weight of 225.32 g/mol. Its IUPAC name is N-(1H-pyrazol-4-ylmethyl)thiane-2-carboxamide.

Molecular Properties

Compound NameN-(1H-pyrazol-4-ylmethyl)thiane-2-carboxamide
PubChem CID80595279
Molecular FormulaC10H15N3OS
Molecular Weight225.32 g/mol
Exact Mass225.09
IUPAC NameN-(1H-pyrazol-4-ylmethyl)thiane-2-carboxamide
SMILESO=C(NCc1cn[nH]c1)C1CCCCS1
InChIInChI=1S/C10H15N3OS/c14-10(9-3-1-2-4-15-9)11-5-8-6-12-13-7-8/h6-7,9H,1-5H2,(H,11,14)(H,12,13)
InChIKeyGQZNVAJQTPIJBN-UHFFFAOYSA-N
XLogP1.31
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.32
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1H-pyrazol-4-ylmethyl)thiane-2-carboxamide?
The IUPAC name of N-(1H-pyrazol-4-ylmethyl)thiane-2-carboxamide (CID 80595279) is N-(1H-pyrazol-4-ylmethyl)thiane-2-carboxamide.
What is the SMILES notation for N-(1H-pyrazol-4-ylmethyl)thiane-2-carboxamide?
The canonical SMILES for N-(1H-pyrazol-4-ylmethyl)thiane-2-carboxamide is O=C(NCc1cn[nH]c1)C1CCCCS1.
What is the InChIKey of N-(1H-pyrazol-4-ylmethyl)thiane-2-carboxamide?
The InChIKey is GQZNVAJQTPIJBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3OS/c14-10(9-3-1-2-4-15-9)11-5-8-6-12-13-7-8/h6-7,9H,1-5H2,(H,11,14)(H,12,13).
What are the key properties of N-(1H-pyrazol-4-ylmethyl)thiane-2-carboxamide?
N-(1H-pyrazol-4-ylmethyl)thiane-2-carboxamide has a molecular weight of 225.32 g/mol, XLogP of 1.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-pyrazol-4-ylmethyl)thiane-2-carboxamide is sourced from PubChem (CID 80595279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).